ethyl N-tert-butyl-N-piperidin-4-ylcarbamate

C12H24N2O2 — CID 167313798

IUPACethyl N-tert-butyl-N-piperidin-4-ylcarbamate
SMILESCCOC(=O)N(C1CCNCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-6-8-13-9-7-10/h10,13H,5-9H2,1-4H3
InChIKeyYVFHPUXMXWJYKR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds2

About ethyl N-tert-butyl-N-piperidin-4-ylcarbamate

ethyl N-tert-butyl-N-piperidin-4-ylcarbamate (PubChem CID 167313798) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-piperidin-4-ylcarbamate
PubChem CID167313798
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-tert-butyl-N-piperidin-4-ylcarbamate
SMILESCCOC(=O)N(C1CCNCC1)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-6-8-13-9-7-10/h10,13H,5-9H2,1-4H3
InChIKeyYVFHPUXMXWJYKR-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
4-(N-Boc-amino)piperidine
CID 723833
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
Ethyl 4-(cyclooctylamino)-1-piperidinecarboxylate
CID 2059342
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-butyl N-methyl-N-(piperidin-3-yl)carbamate
CID 22449166
tert-butyl N-(cyclopropylmethyl)-N-(piperidin-4-yl)carbamate
CID 50986369
3-piperidin-1-ylpropyl N-(3,3-dimethylbutan-2-yl)carbamate
CID 44352410

Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-piperidin-4-ylcarbamate?
The IUPAC name of ethyl N-tert-butyl-N-piperidin-4-ylcarbamate (CID 167313798) is ethyl N-tert-butyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for ethyl N-tert-butyl-N-piperidin-4-ylcarbamate is CCOC(=O)N(C1CCNCC1)C(C)(C)C.
What is the InChIKey of ethyl N-tert-butyl-N-piperidin-4-ylcarbamate?
The InChIKey is YVFHPUXMXWJYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-11(15)14(12(2,3)4)10-6-8-13-9-7-10/h10,13H,5-9H2,1-4H3.
What are the key properties of ethyl N-tert-butyl-N-piperidin-4-ylcarbamate?
ethyl N-tert-butyl-N-piperidin-4-ylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 167313798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).